Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.32 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.32 |
| ▸ | DHODH | Q02127 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 2/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5887149 | 0.88 | AR (0.38) | HSD17B1HSD17B2PDK2PTGS2PTPN5 | |
| SCHEMBL5887499 | 0.83 | ALKBH3 (0.41) | SMN1; SMN2HSD17B1HSD17B2PGR | |
| SCHEMBL5887236 | 0.82 | ESR2 (0.35) | ESR2SMN1; SMN2PDK2PGRPTGS2 | |
| SCHEMBL5887105 | 0.79 | ESR2 (0.35) | ESR2SMN1; SMN2ALOX5 | |
| SCHEMBL5887498 | 0.79 | HSD11B1 (0.34) | PDK2 | |
| SCHEMBL4808757 | 0.75 | ESR2 (0.39) | ESR2SMN1; SMN2PGRALOX5TAAR1 | |
| SCHEMBL4012821 | 0.72 | ESR2 (0.36) | ESR2SMN1; SMN2ALOX5 | |
| SCHEMBL5887155 | 0.70 | NOTUM (0.36) | ESR2SMN1; SMN2ALOX5TAAR1 | |
| SCHEMBL4013100 | 0.69 | ESR2 (0.39) | ESR2SMN1; SMN2PGRALOX5TAAR1 | |
| SCHEMBL6047606 | 0.69 | NR1I3 (0.39) | SMN1; SMN2PTGS2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7037931-B2 | Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-05-02 | — | — | US | claimed |